[(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol

C11H20OS2 — CID 100946780

IUPAC[(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol
SMILESC[C@@H]1CC2(C[C@]1(C)CO)SCCCS2
InChIInChI=1S/C11H20OS2/c1-9-6-11(7-10(9,2)8-12)13-4-3-5-14-11/h9,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyNEWKCGTZZQATTQ-NXEZZACHSA-N
MW232.41 g/mol
LogP2.98
Rot. Bonds1

About [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol

[(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol (PubChem CID 100946780) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol
PubChem CID100946780
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name[(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol
SMILESC[C@@H]1CC2(C[C@]1(C)CO)SCCCS2
InChIInChI=1S/C11H20OS2/c1-9-6-11(7-10(9,2)8-12)13-4-3-5-14-11/h9,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyNEWKCGTZZQATTQ-NXEZZACHSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936
(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol
CID 132562581
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
2,2-dimethyl-1,3-dithiane;2-methylpropane
CID 144926303
(6-ethyl-2-methyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 89090386
[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
CID 7061819
[(2S,3R)-2,3,4,4-tetramethylcyclopentyl]methanol
CID 130763803
3-(2-methyl-1,3-dithian-2-yl)propanoic acid
CID 15751233
1,4-dithia-7-azaspiro[4.4]nonan-8-ylmethanol
CID 123541245
(2R,3S)-2-(2-oxopropyl)-6,10-dithiaspiro[4.5]decane-3-carbaldehyde
CID 101380276

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol (CID 100946780) is [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol is C[C@@H]1CC2(C[C@]1(C)CO)SCCCS2.
What is the InChIKey of [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol?
The InChIKey is NEWKCGTZZQATTQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20OS2/c1-9-6-11(7-10(9,2)8-12)13-4-3-5-14-11/h9,12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol?
[(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol has a molecular weight of 232.41 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2,3-dimethyl-6,10-dithiaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 100946780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).